1-(4-chlorophenyl)-N-(1-cyclobutylethyl)propan-2-amine

C15H22ClN — CID 103779090

IUPAC1-(4-chlorophenyl)-N-(1-cyclobutylethyl)propan-2-amine
SMILESCC(Cc1ccc(Cl)cc1)NC(C)C1CCC1
InChIInChI=1S/C15H22ClN/c1-11(17-12(2)14-4-3-5-14)10-13-6-8-15(16)9-7-13/h6-9,11-12,14,17H,3-5,10H2,1-2H3
InChIKeyUDDUMSYPXDLIBS-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.05
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(1-cyclobutylethyl)propan-2-amine

1-(4-chlorophenyl)-N-(1-cyclobutylethyl)propan-2-amine (PubChem CID 103779090) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(1-cyclobutylethyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(1-cyclobutylethyl)propan-2-amine
PubChem CID103779090
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name1-(4-chlorophenyl)-N-(1-cyclobutylethyl)propan-2-amine
SMILESCC(Cc1ccc(Cl)cc1)NC(C)C1CCC1
InChIInChI=1S/C15H22ClN/c1-11(17-12(2)14-4-3-5-14)10-13-6-8-15(16)9-7-13/h6-9,11-12,14,17H,3-5,10H2,1-2H3
InChIKeyUDDUMSYPXDLIBS-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-2-amine
CID 43677582
N-[(1S)-1-cyclopentylethyl]-1-(4-fluorophenyl)propan-2-amine
CID 104979804
N-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine
CID 43677619
N-[1-(4-chlorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine
CID 63428446
N-[1-(4-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine
CID 43677618
N-[(4-chlorophenyl)methyl]-1-cyclopropylethanamine
CID 43183248
N-[1-(4-chlorophenyl)propan-2-yl]but-3-en-2-amine
CID 115898593
N-(1-cyclobutylethyl)-1-phenylbutan-2-amine
CID 115716509
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine
CID 63477306
N-[(1S)-1-cycloheptylethyl]-1-(2-fluorophenyl)propan-2-amine
CID 104979808
1-(4-chlorophenyl)-N-[(1S)-1-cyclopentylethyl]butan-1-amine
CID 81386564
1-phenyl-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-2-amine
CID 63011582

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(1-cyclobutylethyl)propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-(1-cyclobutylethyl)propan-2-amine (CID 103779090) is 1-(4-chlorophenyl)-N-(1-cyclobutylethyl)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(1-cyclobutylethyl)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(1-cyclobutylethyl)propan-2-amine is CC(Cc1ccc(Cl)cc1)NC(C)C1CCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(1-cyclobutylethyl)propan-2-amine?
The InChIKey is UDDUMSYPXDLIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-11(17-12(2)14-4-3-5-14)10-13-6-8-15(16)9-7-13/h6-9,11-12,14,17H,3-5,10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-(1-cyclobutylethyl)propan-2-amine?
1-(4-chlorophenyl)-N-(1-cyclobutylethyl)propan-2-amine has a molecular weight of 251.80 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(1-cyclobutylethyl)propan-2-amine is sourced from PubChem (CID 103779090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).